trimethyl-(1-oxidanyl-1-phenyl-propan-2-yl)azanium benzoate iodide

Systemtic Name: trimethyl-(1-oxidanyl-1-phenyl-propan-2-yl)azanium benzoate iodide Openeye Name: (2-hydroxy-1-methyl-2-phenyl-ethyl)-trimethyl-ammonium benzoate iodide CAS Name: (1-hydroxy-1-phenylpropan-2-yl)-trimethylammonium benzoate iodide IUPAC Name: (1-hydroxy-1-phenylpropan-2-yl)-trimethylazanium benzoate iodide Traditional Name: (2-hydroxy-1-methyl-2-phenyl-ethyl)-trimethyl-ammonium benzoate iodide Formula: C19H25INO3- MolecularWeight: 442.31117

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[N+](C)(C)C.C1=CC=C(C=C1)C(=O)[O-].[I-]

Isomeric SMILES

CC(C(C1=CC=CC=C1)O)[N+](C)(C)C.C1=CC=C(C=C1)C(=O)[O-].[I-]

InChI

InChI=1S/C12H20NO.C7H6O2.HI/c1-10(13(2,3)4)12(14)11-8-6-5-7-9-11;8-7(9)6-4-2-1-3-5-6;/h5-10,12,14H,1-4H3;1-5H,(H,8,9);1H/q+1;;/p-2